N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline

C14H21FN2O3 — CID 66700439

IUPACN-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline
SMILESCOC(CNc1ccc(N2CCOCC2)c(F)c1)OC
InChIInChI=1S/C14H21FN2O3/c1-18-14(19-2)10-16-11-3-4-13(12(15)9-11)17-5-7-20-8-6-17/h3-4,9,14,16H,5-8,10H2,1-2H3
InChIKeyMMLXVYWQVAHLTA-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.69
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline

N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline (PubChem CID 66700439) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline
PubChem CID66700439
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline
SMILESCOC(CNc1ccc(N2CCOCC2)c(F)c1)OC
InChIInChI=1S/C14H21FN2O3/c1-18-14(19-2)10-16-11-3-4-13(12(15)9-11)17-5-7-20-8-6-17/h3-4,9,14,16H,5-8,10H2,1-2H3
InChIKeyMMLXVYWQVAHLTA-UHFFFAOYSA-N
XLogP1.69
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
3-fluoro-4-morpholin-4-yl-N-(oxiran-2-ylmethyl)aniline
CID 123224004
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
CID 11709354
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-4-morpholin-4-ylaniline;1-methylpiperidine-4-carbaldehyde
CID 160755864
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol
CID 168597205
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
3-fluoro-4-morpholin-4-yl-N-[[3-[(3,4,5-trimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]aniline
CID 69037340
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
CID 81093843

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline (CID 66700439) is N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline is COC(CNc1ccc(N2CCOCC2)c(F)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline?
The InChIKey is MMLXVYWQVAHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-18-14(19-2)10-16-11-3-4-13(12(15)9-11)17-5-7-20-8-6-17/h3-4,9,14,16H,5-8,10H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline?
N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline has a molecular weight of 284.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline is sourced from PubChem (CID 66700439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).